EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:138108 - 2-palmitoleoyl-sn-glycero-3-phospho-D-myo-inositol

ChEBI IDCHEBI:138108
ChEBI Name2-palmitoleoyl-sn-glycero-3-phospho-D-myo-inositol
Stars
ASCII Name2-palmitoleoyl-sn-glycero-3-phospho-D-myo-inositol
DefinitionA 2-acyl-sn-glycero-3-phospho-D-myo-inositol that has palmitoleoyl as the acyl group.
Last Modified8 August 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC25H47O12P
Net Charge0
Average Mass570.613
Monoisotopic Mass570.28051
SMILESCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C25H47O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)36-18(16-26)17-35-38(33,34)37-25-23(31)21(29)20(28)22(30)24(25)32/h7-8,18,20-26,28-32H,2-6,9-17H2,1H3,(H,33,34)/b8-7-/t18-,20-,21-,22+,23-,24-,25-/m1/s1
InChIKeyPEWKZKILLSBVNX-YUCDOUPMSA-N
ChEBI Ontology
Outgoing Relation(s)
2-palmitoleoyl-sn-glycero-3-phospho-D-myo-inositol (CHEBI:138108) is a 2-acyl-sn-glycero-3-phospho-D-myo-inositol (CHEBI:62746)
IUPAC Name 
(2R)-1-hydroxy-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propan-2-yl (9Z)-hexadec-9-enoate
Synonyms  Source
2-(9Z-hexadecenoyl)-glycero-3-phospho-(1'-myo-inositol)ChEBI
2-(9Z-hexadecenoyl)-sn-glycero-3-phospho-D-myo-inositolChEBI
Citations